N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C17H22N2O4S — CID 17424993

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-18(15-8-10-24(22,23)12-15)17(21)11-13-4-6-14(7-5-13)19-9-2-3-16(19)20/h4-7,15H,2-3,8-12H2,1H3
InChIKeyDXCCXXSHAOHRKT-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.00
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 17424993) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID17424993
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-18(15-8-10-24(22,23)12-15)17(21)11-13-4-6-14(7-5-13)19-9-2-3-16(19)20/h4-7,15H,2-3,8-12H2,1H3
InChIKeyDXCCXXSHAOHRKT-UHFFFAOYSA-N
XLogP1.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 17424993) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is DXCCXXSHAOHRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-18(15-8-10-24(22,23)12-15)17(21)11-13-4-6-14(7-5-13)19-9-2-3-16(19)20/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17424993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).